SCHEMBL3667084

SCHEMBL3667084

CC(C)(C)OC(=O)N1CCN(c2nccnc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GRIA1 P42261 2/20 0.52
CKS1B P61024 2/20 0.52
SKP1 P63208 2/20 0.52
SKP2 Q13309 2/20 0.52
POLB P06746 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
TRPA1 O75762 1/20 0.49
STS P08842 1/20 0.49
ADK P55263 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALOX5 P09917 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
KIT P10721 2/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2332808 0.88 GRIA1 (0.65) GRIA1CKS1BSKP1SKP2POLB
SCHEMBL3669512 0.88 CKS1B (0.66) MEN1KMT2AGRIA1CKS1BSKP1
SCHEMBL3320806 0.86 GRIA1 (0.51) GRIA1CKS1BSKP1SKP2KIT
SCHEMBL26105834 0.86 GRIA1 (0.53) MEN1KMT2AGRIA1CKS1BSKP1
SCHEMBL30591902 0.86 GRIA1 (0.53) MEN1KMT2AGRIA1CKS1BSKP1
SCHEMBL3665781 0.85 EGLN2 (0.57) GRIA1CKS1BSKP1SKP2KIT
SCHEMBL3671208 0.85 GPR119 (0.53) MEN1KMT2AGRIA1CKS1BSKP1
SCHEMBL3640078 0.85 GPR119 (0.57) GRIA1CKS1BSKP1SKP2GPR119
SCHEMBL3667750 0.84 GRIA1 (0.49) MEN1KMT2AGRIA1CKS1BSKP1
SCHEMBL2333433 0.84 GPR119 (0.52) GRIA1CKS1BSKP1SKP2KIT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed